CID 86294248

1638588-94-9

Structural Information

Molecular Formula
C17H22N4O
SMILES
CC(C)(C1=NN(C2=CC=CC=C21)C)NC(=O)C3[C@H]4[C@@H]3CNC4
InChI
InChI=1S/C17H22N4O/c1-17(2,19-16(22)14-11-8-18-9-12(11)14)15-10-6-4-5-7-13(10)21(3)20-15/h4-7,11-12,14,18H,8-9H2,1-3H3,(H,19,22)/t11-,12+,14?
InChIKey
HKKUYICHOOHPHK-ONXXMXGDSA-N
Compound name
(1R,5S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

298.17935 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.18663 176.2
[M+Na]+ 321.16857 186.2
[M-H]- 297.17207 180.6
[M+NH4]+ 316.21317 187.7
[M+K]+ 337.14251 179.0
[M+H-H2O]+ 281.17661 169.4
[M+HCOO]- 343.17755 192.8
[M+CH3COO]- 357.19320 186.1
[M+Na-2H]- 319.15402 178.3
[M]+ 298.17880 178.8
[M]- 298.17990 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.